acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one

C29H28N6O4 — CID 18419108

IUPACacetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
SMILESCC(=O)O.NCCCn1cc(-c2nc3cc4[nH]ncc4cc3[nH]c2=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C27H24N6O2.C2H4O2/c28-9-4-10-33-15-21(20-8-7-19(12-25(20)33)35-16-17-5-2-1-3-6-17)26-27(34)31-23-11-18-14-29-32-22(18)13-24(23)30-26;1-2(3)4/h1-3,5-8,11-15H,4,9-10,16,28H2,(H,29,32)(H,31,34);1H3,(H,3,4)
InChIKeySRUHYIAQRBAUQS-UHFFFAOYSA-N
MW524.58 g/mol
LogP4.44
Rot. Bonds7

About acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one

acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one (PubChem CID 18419108) has the molecular formula C29H28N6O4 and a molecular weight of 524.58 g/mol. Its IUPAC name is acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one.

Molecular Properties

Compound Nameacetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
PubChem CID18419108
Molecular FormulaC29H28N6O4
Molecular Weight524.58 g/mol
Exact Mass524.22
IUPAC Nameacetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
SMILESCC(=O)O.NCCCn1cc(-c2nc3cc4[nH]ncc4cc3[nH]c2=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C27H24N6O2.C2H4O2/c28-9-4-10-33-15-21(20-8-7-19(12-25(20)33)35-16-17-5-2-1-3-6-17)26-27(34)31-23-11-18-14-29-32-22(18)13-24(23)30-26;1-2(3)4/h1-3,5-8,11-15H,4,9-10,16,28H2,(H,29,32)(H,31,34);1H3,(H,3,4)
InChIKeySRUHYIAQRBAUQS-UHFFFAOYSA-N
XLogP4.44
TPSA151.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;9-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one
CID 18419321
acetic acid;7-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
CID 18418969
acetic acid;tert-butyl 2-[3-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-2-oxoquinoxalin-1-yl]acetate
CID 173277878
7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 18419255
9-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one
CID 18419068
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277698
acetic acid;3-[5-amino-1-(3-aminopropyl)indol-3-yl]-6-methyl-1H-quinoxalin-2-one
CID 173277727
acetic acid;3-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18418948
[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-2-oxo-5-phenylquinoxalin-1-yl] acetate
CID 67610267
acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 70207142
acetic acid;6-acetyl-2-[1-(4-aminobutyl)indol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 18419279
acetic acid;3-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-5-phenyl-1H-quinoxalin-2-one
CID 67565180

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one?
The IUPAC name of acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one (CID 18419108) is acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one.
What is the SMILES notation for acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one?
The canonical SMILES for acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one is CC(=O)O.NCCCn1cc(-c2nc3cc4[nH]ncc4cc3[nH]c2=O)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one?
The InChIKey is SRUHYIAQRBAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2.C2H4O2/c28-9-4-10-33-15-21(20-8-7-19(12-25(20)33)35-16-17-5-2-1-3-6-17)26-27(34)31-23-11-18-14-29-32-22(18)13-24(23)30-26;1-2(3)4/h1-3,5-8,11-15H,4,9-10,16,28H2,(H,29,32)(H,31,34);1H3,(H,3,4).
What are the key properties of acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one?
acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one has a molecular weight of 524.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one is sourced from PubChem (CID 18419108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).